3-Fluoro-5-methylaniline

Base Information

• Chemical Name: 3-Fluoro-5-methylaniline
• CAS No.: 52215-41-5
• Molecular Formula: C7H8 F N
• Molecular Weight: 125.146
• Hs Code.: 2921430090
• European Community (EC) Number: 810-590-9
• DSSTox Substance ID: DTXSID70380947
• Nikkaji Number: J2.992.372H
• Wikidata: Q72474346
• Mol file: 52215-41-5.mol

Synonyms:3-Fluoro-5-methylaniline;52215-41-5;3-Amino-5-fluorotoluene;Benzenamine, 3-fluoro-5-methyl-;MFCD00077538;3-fluoranyl-5-methyl-aniline;5-Fluoro-3-Methylaniline;3-Fluoro-5-aminotoluene;3-fluoro-5-methylbenzenamine;SCHEMBL458376;DTXSID70380947;DPHBKGYVIHTBDG-UHFFFAOYSA-N;3-Fluoro-5-methylaniline, AldrichCPR;AKOS006230230;AC-2612;CS-W002331;DS-0889;PS-9195;SY019381;A7670;AM20060290;FT-0601365;EN300-50153;A811634;A828986;W-202966

Chemical Property of 3-Fluoro-5-methylaniline

Chemical Property:

• Vapor Pressure: 0.226mmHg at 25°C
• Boiling Point: 252.8°Cat760mmHg
• PKA: 3.70±0.10(Predicted)
• Flash Point: 106.7°C
• PSA: 26.02000
• Density: 1.12g/cm³
• LogP: 2.29750
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.064077422
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-5-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)F)N

Technology Process of 3-Fluoro-5-methylaniline

There total 5 articles about 3-Fluoro-5-methylaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 62.0%

1-bromo-3-fluoro-5-methylbenzene (202865-83-6) → 3-fluoro-5-methylaniline (52215-41-5)

Guidance literature:

1-bromo-3-fluoro-5-methylbenzene; With magnesium; In tetrahydrofuran; Inert atmosphere;

With C₁₀H₁₇NO; In tetrahydrofuran; toluene; at -45 ℃; for 2h; Inert atmosphere;

With ammonium chloride; In tetrahydrofuran; water; toluene; Inert atmosphere;

DOI:10.1038/nchem.2672

Reference yield: 62.0%

→ 3-fluoro-5-methylaniline (52215-41-5)

Guidance literature:

With magnesium; ethylene dibromide; In tetrahydrofuran; Inert atmosphere;

With C₁₀H₁₇NO; In tetrahydrofuran; toluene; at -45 ℃; for 2h; Inert atmosphere;

Reference yield:

1-fluoro-3-methyl-5-nitrobenzene (499-08-1) → 3-fluoro-5-methylaniline (52215-41-5)

Guidance literature:

With hydrogen; platinum on activated charcoal; In methanol; for 1h; under 2068.6 Torr;

upstream raw materials:

1-fluoro-3-methyl-5-nitrobenzene

3,5-dinitrotoluene

3-methyl-5-nitro-aniline

1-bromo-3-fluoro-5-methylbenzene

Downstream raw materials:

1-chloro-3-fluoro-5-methylbenzene

2',4''-dichloro-6'-fluoro-4'-methylbenzophenone

(4-Bromomethyl-2-chloro-6-fluoro-phenyl)-(4-chloro-phenyl)-methanone

5-Amino-1-[3-chloro-4-(4-chloro-benzoyl)-5-fluoro-benzyl]-1H-[1,2,3]triazole-4-carboxylic acid amide

Refernces

• 1、 Gao, Hongyin,Zhou, Zhe,Kwon, Doo-Hyun,Coombs, James,Jones, Steven,Behnke, Nicole Erin,Ess, Daniel H.,Kürti, László. "Rapid heteroatom transfer to arylmetals utilizing multifunctional reagent scaffolds". . p. 681 - 688. Retrieved 2017/06/30.
• 2、 Emokpae, Thomas A.,Eguavoen, Osa,Hirst, Jack. "The Kinetics of the Reactions of Picryl Chloride with Some Substituted Anilines. Part 5.". . p. 829 - 831. Retrieved 2007/10/02.